CID 53421843

1909316-01-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CC1NCCNCC2=CC=CC=C2

InChI

InChI=1S/C12H18N2/c1-2-4-11(5-3-1)10-13-8-9-14-12-6-7-12/h1-5,12-14H,6-10H2

InChIKey

QEQADKMMORGKNM-UHFFFAOYSA-N

Compound name

N-benzyl-N'-cyclopropylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.147 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.15428	137.9
[M+Na]+	213.13622	144.4
[M-H]-	189.13972	144.9
[M+NH4]+	208.18082	152.1
[M+K]+	229.11016	140.9
[M+H-H2O]+	173.14426	130.7
[M+HCOO]-	235.14520	164.3
[M+CH3COO]-	249.16085	191.6
[M+Na-2H]-	211.12167	146.2
[M]+	190.14645	138.7
[M]-	190.14755	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe